1-[4-[[4-(4-pyrrolidin-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-(4-pyrrolidin-1-ylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-(4-pyrrolidin-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-(4-pyrrolidin-1-ylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[[4-(4-pyrrolidinobenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperazino]ethanone Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C27H34N4O3/c1-21(32)29-14-12-28(13-15-29)19-22-4-9-26-24(18-22)20-31(16-17-34-26)27(33)23-5-7-25(8-6-23)30-10-2-3-11-30/h4-9,18H,2-3,10-17,19-20H2,1H3