(1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(4-methyl-5-nitro-pyridin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(4-methyl-5-nitro-pyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(4-methyl-5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (1,5-dimethyl-2-phenyl-3-indolyl)-[4-(4-methyl-5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1,5-dimethyl-2-phenylindol-3-yl)-[4-(4-methyl-5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(4-methyl-5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=NC=C(C(=C4)C)[N+](=O)[O-])C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=NC=C(C(=C4)C)[N+](=O)[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N5O3/c1-19-10-11-23-22(16-19)26(27(30(23)3)21-8-5-4-6-9-21)28(34)32-13-7-12-31(14-15-32)25-17-20(2)24(18-29-25)33(35)36/h4-6,8-11,16-18H,7,12-15H2,1-3H3