2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)piperazin-1-yl]-4-propan-2-yloxy-benzamide

Systemtic Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-quinolin-4-yl)piperazin-1-yl]-4-propan-2-yloxy-benzamide Openeye Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolyl)piperazin-1-yl]-4-isopropoxy-benzamide CAS Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxy-4-quinolinyl)-1-piperazinyl]-4-propan-2-yloxybenzamide IUPAC Name: 2-[4-(3-cyano-6-methoxy-7-prop-2-ynoxyquinolin-4-yl)piperazin-1-yl]-4-propan-2-yloxybenzamide Traditional Name: 2-[4-(3-cyano-6-methoxy-7-propargyloxy-4-quinolyl)piperazino]-4-isopropoxy-benzamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)C(=O)N)N2CCN(CC2)C3=C(C=NC4=CC(=C(C=C43)OC)OCC#C)C#N

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)C(=O)N)N2CCN(CC2)C3=C(C=NC4=CC(=C(C=C43)OC)OCC#C)C#N

InChI

InChI=1S/C28H29N5O4/c1-5-12-36-26-15-23-22(14-25(26)35-4)27(19(16-29)17-31-23)33-10-8-32(9-11-33)24-13-20(37-18(2)3)6-7-21(24)28(30)34/h1,6-7,13-15,17-18H,8-12H2,2-4H3,(H2,30,34)