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

Systemtic Name: N-[3-cyano-4-[(phenylmethyl)amino]-6-piperazin-1-yl-quinolin-2-yl]-4-methoxy-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-piperazin-1-yl-2-quinolyl]-4-methoxy-benzamide CAS Name: N-[3-cyano-4-[(phenylmethyl)amino]-6-(1-piperazinyl)-2-quinolinyl]-4-methoxybenzamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-piperazin-1-ylquinolin-2-yl]-4-methoxybenzamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-piperazino-2-quinolyl]-4-methoxy-benzamide Formula: C29H28N6O2 MolecularWeight: 492.57162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)N4CCNCC4)C(=C2C#N)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)N4CCNCC4)C(=C2C#N)NCC5=CC=CC=C5

InChI

InChI=1S/C29H28N6O2/c1-37-23-10-7-21(8-11-23)29(36)34-28-25(18-30)27(32-19-20-5-3-2-4-6-20)24-17-22(9-12-26(24)33-28)35-15-13-31-14-16-35/h2-12,17,31H,13-16,19H2,1H3,(H2,32,33,34,36)