5-(6-chloranylhexyl)-1-(4-nitrophenyl)carbonyl-2,3-dihydro-1,5-benzodiazepin-4-one

Systemtic Name: 5-(6-chloranylhexyl)-1-(4-nitrophenyl)carbonyl-2,3-dihydro-1,5-benzodiazepin-4-one Openeye Name: 5-(6-chlorohexyl)-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-4-one CAS Name: 5-(6-chlorohexyl)-1-[(4-nitrophenyl)-oxomethyl]-2,3-dihydro-1,5-benzodiazepin-4-one IUPAC Name: 5-(6-chlorohexyl)-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-4-one Traditional Name: 5-(6-chlorohexyl)-1-(4-nitrobenzoyl)-2,3-dihydro-1,5-benzodiazepin-4-one Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2N(C1=O)CCCCCCCl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2N(C1=O)CCCCCCCl)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O4/c23-14-5-1-2-6-15-24-19-7-3-4-8-20(19)25(16-13-21(24)27)22(28)17-9-11-18(12-10-17)26(29)30/h3-4,7-12H,1-2,5-6,13-16H2