N-[3-cyano-6-(4-methylpiperidin-1-yl)-4-[(phenylmethyl)amino]quinolin-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[3-cyano-6-(4-methylpiperidin-1-yl)-4-[(phenylmethyl)amino]quinolin-2-yl]-4-methoxy-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-(4-methyl-1-piperidyl)-2-quinolyl]-4-methoxy-benzamide CAS Name: N-[3-cyano-6-(4-methyl-1-piperidinyl)-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-(4-methylpiperidin-1-yl)quinolin-2-yl]-4-methoxybenzamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-(4-methylpiperidino)-2-quinolyl]-4-methoxy-benzamide Formula: C31H31N5O2 MolecularWeight: 505.61014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC3=C(C=C2)N=C(C(=C3NCC4=CC=CC=C4)C#N)NC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1CCN(CC1)C2=CC3=C(C=C2)N=C(C(=C3NCC4=CC=CC=C4)C#N)NC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H31N5O2/c1-21-14-16-36(17-15-21)24-10-13-28-26(18-24)29(33-20-22-6-4-3-5-7-22)27(19-32)30(34-28)35-31(37)23-8-11-25(38-2)12-9-23/h3-13,18,21H,14-17,20H2,1-2H3,(H2,33,34,35,37)