N-(azepan-1-yl)-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide

Systemtic Name: N-(azepan-1-yl)-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: N-(azepan-1-yl)-3-[(4-isopropylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(1-azepanyl)-2-phenyl-3-[(4-propan-2-yl-1-piperazinyl)methyl]-4-quinolinecarboxamide IUPAC Name: N-(azepan-1-yl)-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: N-(azepan-1-yl)-3-[(4-isopropylpiperazino)methyl]-2-phenyl-cinchoninamide Formula: C30H39N5O MolecularWeight: 485.66356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NN5CCCCCC5

Isomeric SMILES

CC(C)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NN5CCCCCC5

InChI

InChI=1S/C30H39N5O/c1-23(2)34-20-18-33(19-21-34)22-26-28(30(36)32-35-16-10-3-4-11-17-35)25-14-8-9-15-27(25)31-29(26)24-12-6-5-7-13-24/h5-9,12-15,23H,3-4,10-11,16-22H2,1-2H3,(H,32,36)