1-[4-[6-cyclopropylcarbonyl-4-[(2,4-dichlorophenyl)methylamino]-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanone

Systemtic Name: 1-[4-[6-cyclopropylcarbonyl-4-[(2,4-dichlorophenyl)methylamino]-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanone Openeye Name: 1-[4-[6-(cyclopropanecarbonyl)-4-[(2,4-dichlorophenyl)methylamino]-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-yl-ethanone CAS Name: 1-[4-[6-[cyclopropyl(oxo)methyl]-4-[(2,4-dichlorophenyl)methylamino]-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-yl]-1-piperazinyl]-2-(1-pyrrolidinyl)ethanone IUPAC Name: 1-[4-[6-(cyclopropanecarbonyl)-4-[(2,4-dichlorophenyl)methylamino]-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-yl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone Traditional Name: 1-[4-[6-(cyclopropanecarbonyl)-4-[(2,4-dichlorobenzyl)amino]-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-yl]piperazino]-2-pyrrolidino-ethanone Formula: C28H35Cl2N7O3 MolecularWeight: 588.5286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)N2CCN(CC2)C3=NC(=C4CN(CCOC4=N3)C(=O)C5CC5)NCC6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

C1CCN(C1)CC(=O)N2CCN(CC2)C3=NC(=C4CN(CCOC4=N3)C(=O)C5CC5)NCC6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C28H35Cl2N7O3/c29-21-6-5-20(23(30)15-21)16-31-25-22-17-37(27(39)19-3-4-19)13-14-40-26(22)33-28(32-25)36-11-9-35(10-12-36)24(38)18-34-7-1-2-8-34/h5-6,15,19H,1-4,7-14,16-18H2,(H,31,32,33)