3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(phenylmethyl)pyridazino[4,5-b]indol-4-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-(phenylmethyl)pyridazino[4,5-b]indol-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-benzyl-pyridazino[4,5-b]indol-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-(phenylmethyl)-4-pyridazino[4,5-b]indolone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzylpyridazino[4,5-b]indol-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-benzyl-pyridazin[4,5-b]indol-4-one Formula: C25H26N4O2 MolecularWeight: 414.49954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2/c30-23(27-14-8-1-2-9-15-27)18-29-25(31)24-21(16-26-29)20-12-6-7-13-22(20)28(24)17-19-10-4-3-5-11-19/h3-7,10-13,16H,1-2,8-9,14-15,17-18H2