3,4-dihydro-2H-chromen-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: 3,4-dihydro-2H-chromen-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: chroman-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: 3,4-dihydro-2H-1-benzopyran-3-yl-[7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: 3,4-dihydro-2H-chromen-3-yl-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: chroman-3-yl-[7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CC5=CC=CC=C5OC4)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4CC5=CC=CC=C5OC4)C6=NC=CC=N6

InChI

InChI=1S/C28H31N5O3/c34-27(24-17-22-4-1-2-5-25(22)36-20-24)33-14-15-35-26-7-6-21(16-23(26)19-33)18-31-10-12-32(13-11-31)28-29-8-3-9-30-28/h1-9,16,24H,10-15,17-20H2