3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-imidazol-1-yl-2-nitro-anilino)propan-1-one CAS Name: 3-[4-(1-imidazolyl)-2-nitroanilino]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-imidazol-1-yl-2-nitroanilino)propan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4-imidazol-1-yl-2-nitro-anilino)propan-1-one Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCNC2=C(C=C(C=C2)N3C=CN=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCNC2=C(C=C(C=C2)N3C=CN=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H28N6O3/c31-24(28-13-4-12-27(15-16-28)18-20-5-2-1-3-6-20)9-10-26-22-8-7-21(17-23(22)30(32)33)29-14-11-25-19-29/h1-3,5-8,11,14,17,19,26H,4,9-10,12-13,15-16,18H2