N-[4-(azepan-1-ylcarbonyl)phenyl]-8-methyl-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-8-methyl-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-8-methyl-2-phenyl-quinoline-4-carboxamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-8-methyl-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-8-methyl-2-phenylquinoline-4-carboxamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-8-methyl-2-phenyl-cinchoninamide Formula: C30H29N3O2 MolecularWeight: 463.57016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O2/c1-21-10-9-13-25-26(20-27(32-28(21)25)22-11-5-4-6-12-22)29(34)31-24-16-14-23(15-17-24)30(35)33-18-7-2-3-8-19-33/h4-6,9-17,20H,2-3,7-8,18-19H2,1H3,(H,31,34)