2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-(5-benzyl-4-oxo-pyridazino[4,5-b]indol-3-yl)-N-(2-pyridylmethyl)acetamide CAS Name: 2-[4-oxo-5-(phenylmethyl)-3-pyridazino[4,5-b]indolyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-(5-benzyl-4-keto-pyridazin[4,5-b]indol-3-yl)-N-(2-pyridylmethyl)acetamide Formula: C25H21N5O2 MolecularWeight: 423.46654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(N=C4)CC(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C25H21N5O2/c31-23(27-14-19-10-6-7-13-26-19)17-30-25(32)24-21(15-28-30)20-11-4-5-12-22(20)29(24)16-18-8-2-1-3-9-18/h1-13,15H,14,16-17H2,(H,27,31)