2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-5-(phenylmethyl)pyridazino[4,5-b]indol-3-yl]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-(5-benzyl-4-oxo-pyridazino[4,5-b]indol-3-yl)-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[4-oxo-5-(phenylmethyl)-3-pyridazino[4,5-b]indolyl]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-(5-benzyl-4-keto-pyridazin[4,5-b]indol-3-yl)-N-(3-piperidinopropyl)acetamide Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c33-25(28-14-9-17-30-15-7-2-8-16-30)20-32-27(34)26-23(18-29-32)22-12-5-6-13-24(22)31(26)19-21-10-3-1-4-11-21/h1,3-6,10-13,18H,2,7-9,14-17,19-20H2,(H,28,33)