1-(3,3-diphenylpropyl)-4-[(4-nitrophenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(3,3-diphenylpropyl)-4-[(4-nitrophenyl)methyl]-1,4-diazepane Openeye Name: 1-(3,3-diphenylpropyl)-4-[(4-nitrophenyl)methyl]-1,4-diazepane CAS Name: 1-(3,3-diphenylpropyl)-4-[(4-nitrophenyl)methyl]-1,4-diazepane IUPAC Name: 1-(3,3-diphenylpropyl)-4-[(4-nitrophenyl)methyl]-1,4-diazepane Traditional Name: 1-(3,3-diphenylpropyl)-4-(4-nitrobenzyl)-1,4-diazepane Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=CC=C(C=C2)[N+](=O)[O-])CCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=CC=C(C=C2)[N+](=O)[O-])CCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c31-30(32)26-14-12-23(13-15-26)22-29-18-7-17-28(20-21-29)19-16-27(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-6,8-15,27H,7,16-22H2