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

Systemtic Name: N-[3-cyano-6-morpholin-4-yl-4-[(phenylmethyl)amino]quinolin-2-yl]-4-methoxy-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-morpholino-2-quinolyl]-4-methoxy-benzamide CAS Name: N-[3-cyano-6-(4-morpholinyl)-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-morpholin-4-ylquinolin-2-yl]-4-methoxybenzamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-morpholino-2-quinolyl]-4-methoxy-benzamide Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=C2C#N)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=C2C#N)NCC5=CC=CC=C5

InChI

InChI=1S/C29H27N5O3/c1-36-23-10-7-21(8-11-23)29(35)33-28-25(18-30)27(31-19-20-5-3-2-4-6-20)24-17-22(9-12-26(24)32-28)34-13-15-37-16-14-34/h2-12,17H,13-16,19H2,1H3,(H2,31,32,33,35)