1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-propanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCN4CC(OC5=CC=CC=C5C4)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCN4CC(OC5=CC=CC=C5C4)C6=CC=CC=C6

InChI

InChI=1S/C29H30N4O2S/c34-28(32-16-18-33(19-17-32)29-30-24-11-5-7-13-27(24)36-29)14-15-31-20-23-10-4-6-12-25(23)35-26(21-31)22-8-2-1-3-9-22/h1-13,26H,14-21H2