7-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde

Systemtic Name: 7-[3-[4-(phenylmethyl)piperazin-1-yl]propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde Openeye Name: 7-[3-(4-benzylpiperazin-1-yl)propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde CAS Name: 7-[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxaldehyde IUPAC Name: 7-[3-(4-benzylpiperazin-1-yl)propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde Traditional Name: 7-[3-(4-benzylpiperazino)propanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbaldehyde Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)OCCN(C3)C=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)OCCN(C3)C=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-19-27-14-15-30-24-7-6-21(16-22(24)18-27)23(29)8-9-25-10-12-26(13-11-25)17-20-4-2-1-3-5-20/h1-7,16,19H,8-15,17-18H2