methyl 4-[(2-ethynylphenyl)carbamoyl]-5H-pyridazino[4,5-b]indole-1-carboxylate

Systemtic Name: methyl 4-[(2-ethynylphenyl)carbamoyl]-5H-pyridazino[4,5-b]indole-1-carboxylate Openeye Name: methyl 4-[(2-ethynylphenyl)carbamoyl]-5H-pyridazino[4,5-b]indole-1-carboxylate CAS Name: 4-[(2-ethynylanilino)-oxomethyl]-5H-pyridazino[4,5-b]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 4-[(2-ethynylphenyl)carbamoyl]-5H-pyridazino[4,5-b]indole-1-carboxylate Traditional Name: 4-[(2-ethynylphenyl)carbamoyl]-5H-pyridazin[4,5-b]indole-1-carboxylic acid methyl ester Formula: C21H14N4O3 MolecularWeight: 370.36086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN=C(C2=C1C3=CC=CC=C3N2)C(=O)NC4=CC=CC=C4C#C

Isomeric SMILES

COC(=O)C1=NN=C(C2=C1C3=CC=CC=C3N2)C(=O)NC4=CC=CC=C4C#C

InChI

InChI=1S/C21H14N4O3/c1-3-12-8-4-6-10-14(12)23-20(26)19-17-16(18(24-25-19)21(27)28-2)13-9-5-7-11-15(13)22-17/h1,4-11,22H,2H3,(H,23,26)