4-[(E)-3-[[1-(2-azanylethanoyl)-6-chloranyl-2-methyl-3-phenylmethoxy-cinnolin-4-yl]amino]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide

Systemtic Name: 4-[(E)-3-[[1-(2-azanylethanoyl)-6-chloranyl-2-methyl-3-phenylmethoxy-cinnolin-4-yl]amino]-3-oxidanylidene-prop-1-enyl]-N-methyl-benzamide Openeye Name: 4-[(E)-3-[[1-(2-aminoacetyl)-3-benzyloxy-6-chloro-2-methyl-cinnolin-4-yl]amino]-3-oxo-prop-1-enyl]-N-methyl-benzamide CAS Name: 4-[(E)-3-[[1-(2-amino-1-oxoethyl)-6-chloro-2-methyl-3-phenylmethoxy-4-cinnolinyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide IUPAC Name: 4-[(E)-3-[[1-(2-aminoacetyl)-6-chloro-2-methyl-3-phenylmethoxycinnolin-4-yl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide Traditional Name: 4-[(E)-3-[(3-benzoxy-6-chloro-1-glycyl-2-methyl-cinnolin-4-yl)amino]-3-keto-prop-1-enyl]-N-methyl-benzamide Formula: C29H28ClN5O4 MolecularWeight: 546.01672

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=C(N(N(C3=C2C=C(C=C3)Cl)C(=O)CN)C)OCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(N(N(C3=C2C=C(C=C3)Cl)C(=O)CN)C)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28ClN5O4/c1-32-28(38)21-11-8-19(9-12-21)10-15-25(36)33-27-23-16-22(30)13-14-24(23)35(26(37)17-31)34(2)29(27)39-18-20-6-4-3-5-7-20/h3-16H,17-18,31H2,1-2H3,(H,32,38)(H,33,36)/b15-10+