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

Systemtic Name: N-[3-cyano-6-(4-methanoylpiperazin-1-yl)-4-[(phenylmethyl)amino]quinolin-2-yl]-4-methoxy-benzamide Openeye Name: N-[4-(benzylamino)-3-cyano-6-(4-formylpiperazin-1-yl)-2-quinolyl]-4-methoxy-benzamide CAS Name: N-[3-cyano-6-(4-formyl-1-piperazinyl)-4-[(phenylmethyl)amino]-2-quinolinyl]-4-methoxybenzamide IUPAC Name: N-[4-(benzylamino)-3-cyano-6-(4-formylpiperazin-1-yl)quinolin-2-yl]-4-methoxybenzamide Traditional Name: N-[4-(benzylamino)-3-cyano-6-(4-formylpiperazino)-2-quinolyl]-4-methoxy-benzamide Formula: C30H28N6O3 MolecularWeight: 520.58172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)N4CCN(CC4)C=O)C(=C2C#N)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)N4CCN(CC4)C=O)C(=C2C#N)NCC5=CC=CC=C5

InChI

InChI=1S/C30H28N6O3/c1-39-24-10-7-22(8-11-24)30(38)34-29-26(18-31)28(32-19-21-5-3-2-4-6-21)25-17-23(9-12-27(25)33-29)36-15-13-35(20-37)14-16-36/h2-12,17,20H,13-16,19H2,1H3,(H2,32,33,34,38)