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

Systemtic Name: [1,5-dimethyl-2-(4-nitrophenyl)indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [1,5-dimethyl-2-(4-nitrophenyl)indol-3-yl]-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: [1,5-dimethyl-2-(4-nitrophenyl)-3-indolyl]-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1,5-dimethyl-2-(4-nitrophenyl)indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [1,5-dimethyl-2-(4-nitrophenyl)indol-3-yl]-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C27H27N5O3/c1-19-7-12-23-22(18-19)25(26(29(23)2)20-8-10-21(11-9-20)32(34)35)27(33)31-15-5-14-30(16-17-31)24-6-3-4-13-28-24/h3-4,6-13,18H,5,14-17H2,1-2H3