[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]-(3-nitrophenyl)methanone Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)20-10-8-18(9-11-20)17-24-12-5-13-25(15-14-24)22(27)19-6-4-7-21(16-19)26(28)29/h4,6-11,16H,5,12-15,17H2,1-3H3