[3,6-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [3,6-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-quinolyl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [3,6-dimethyl-2-(1-methyl-4-pyrazolyl)-4-quinolinyl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [3,6-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [3,6-dimethyl-2-(1-methylpyrazol-4-yl)-4-quinolyl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CN(N=C3)C)C)C(=O)N4CCCN(CC4)C

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CN(N=C3)C)C)C(=O)N4CCCN(CC4)C

InChI

InChI=1S/C22H27N5O/c1-15-6-7-19-18(12-15)20(22(28)27-9-5-8-25(3)10-11-27)16(2)21(24-19)17-13-23-26(4)14-17/h6-7,12-14H,5,8-11H2,1-4H3