N-(phenylmethyl)ethanamide; N-(phenylmethyl)-5H-pyridazino[4,5-b]indole-4-carboxamide

Systemtic Name: N-(phenylmethyl)ethanamide; N-(phenylmethyl)-5H-pyridazino[4,5-b]indole-4-carboxamide Openeye Name: N-benzylacetamide; N-benzyl-5H-pyridazino[4,5-b]indole-4-carboxamide CAS Name: N-(phenylmethyl)acetamide; N-(phenylmethyl)-5H-pyridazino[4,5-b]indole-4-carboxamide IUPAC Name: N-benzylacetamide; N-benzyl-5H-pyridazino[4,5-b]indole-4-carboxamide Traditional Name: N-benzylacetamide; N-benzyl-5H-pyridazin[4,5-b]indole-4-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=CC=C1.C1=CC=C(C=C1)CNC(=O)C2=C3C(=CN=N2)C4=CC=CC=C4N3

Isomeric SMILES

CC(=O)NCC1=CC=CC=C1.C1=CC=C(C=C1)CNC(=O)C2=C3C(=CN=N2)C4=CC=CC=C4N3

InChI

InChI=1S/C18H14N4O.C9H11NO/c23-18(19-10-12-6-2-1-3-7-12)17-16-14(11-20-22-17)13-8-4-5-9-15(13)21-16;1-8(11)10-7-9-5-3-2-4-6-9/h1-9,11,21H,10H2,(H,19,23);2-6H,7H2,1H3,(H,10,11)