4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-[4-[4-(3-nitro-2-pyridyl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[4-[4-(3-nitro-2-pyridinyl)-1-piperazinyl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[4-[4-(3-nitropyridin-2-yl)piperazin-1-yl]butyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-[4-[4-(3-nitro-2-pyridyl)piperazino]butyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2CCOC3=CC=CC=C3C2)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCCN2CCOC3=CC=CC=C3C2)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c28-27(29)20-7-5-9-23-22(20)26-14-12-24(13-15-26)10-3-4-11-25-16-17-30-21-8-2-1-6-19(21)18-25/h1-2,5-9H,3-4,10-18H2