4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-[(2,6-dimethylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(2-azanyl-7-chloranyl-quinolin-4-yl)-N-[1-[(2,6-dimethylphenyl)methyl]-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-[(2,6-dimethylphenyl)methyl]-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(2-amino-7-chloro-4-quinolinyl)-N-[1-[(2,6-dimethylphenyl)methyl]-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(2-amino-7-chloroquinolin-4-yl)-N-[1-[(2,6-dimethylphenyl)methyl]-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(2-amino-7-chloro-4-quinolyl)-N-[1-(2,6-dimethylbenzyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C29H35ClN6O2 MolecularWeight: 535.0802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CN2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)CN2CCCCC(C2=O)NC(=O)N3CCN(CC3)C4=CC(=NC5=C4C=CC(=C5)Cl)N

InChI

InChI=1S/C29H35ClN6O2/c1-19-6-5-7-20(2)23(19)18-36-11-4-3-8-24(28(36)37)33-29(38)35-14-12-34(13-15-35)26-17-27(31)32-25-16-21(30)9-10-22(25)26/h5-7,9-10,16-17,24H,3-4,8,11-15,18H2,1-2H3,(H2,31,32)(H,33,38)