4-[azanyl-(phenylmethyl)amino]-2-(phenylmethyl)pyrido[3,4-d]pyridazin-1-one

Systemtic Name: 4-[azanyl-(phenylmethyl)amino]-2-(phenylmethyl)pyrido[3,4-d]pyridazin-1-one Openeye Name: 4-[amino(benzyl)amino]-2-benzyl-pyrido[3,4-d]pyridazin-1-one CAS Name: 4-[amino-(phenylmethyl)amino]-2-(phenylmethyl)-1-pyrido[3,4-d]pyridazinone IUPAC Name: 4-[amino(benzyl)amino]-2-benzylpyrido[3,4-d]pyridazin-1-one Traditional Name: 4-[amino(benzyl)amino]-2-benzyl-pyrido[3,4-d]pyridazin-1-one Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=NC=C3)C(=N2)N(CC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=NC=C3)C(=N2)N(CC4=CC=CC=C4)N

InChI

InChI=1S/C21H19N5O/c22-25(14-16-7-3-1-4-8-16)20-19-13-23-12-11-18(19)21(27)26(24-20)15-17-9-5-2-6-10-17/h1-13H,14-15,22H2