methyl 8-methoxy-4-[(phenylmethyl)carbamoyl]-5H-pyridazino[4,5-b]indole-1-carboxylate

Systemtic Name: methyl 8-methoxy-4-[(phenylmethyl)carbamoyl]-5H-pyridazino[4,5-b]indole-1-carboxylate Openeye Name: methyl 4-(benzylcarbamoyl)-8-methoxy-5H-pyridazino[4,5-b]indole-1-carboxylate CAS Name: 8-methoxy-4-[oxo-[(phenylmethyl)amino]methyl]-5H-pyridazino[4,5-b]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamoyl)-8-methoxy-5H-pyridazino[4,5-b]indole-1-carboxylate Traditional Name: 4-(benzylcarbamoyl)-8-methoxy-5H-pyridazin[4,5-b]indole-1-carboxylic acid methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC3=C2C(=NN=C3C(=O)NCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2C(=NN=C3C(=O)NCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O4/c1-28-13-8-9-15-14(10-13)16-17(23-15)19(25-24-18(16)21(27)29-2)20(26)22-11-12-6-4-3-5-7-12/h3-10,23H,11H2,1-2H3,(H,22,26)