4-(4-oxidanylidene-3H-pyridazino[4,5-b]indol-5-yl)-N-[1-(phenylmethyl)piperidin-4-yl]butanamide

Systemtic Name: 4-(4-oxidanylidene-3H-pyridazino[4,5-b]indol-5-yl)-N-[1-(phenylmethyl)piperidin-4-yl]butanamide Openeye Name: N-(1-benzyl-4-piperidyl)-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide CAS Name: 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-[1-(phenylmethyl)-4-piperidinyl]butanamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide Traditional Name: N-(1-benzyl-4-piperidyl)-4-(4-keto-3H-pyridazin[4,5-b]indol-5-yl)butyramide Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CCCN2C3=CC=CC=C3C4=C2C(=O)NN=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)CCCN2C3=CC=CC=C3C4=C2C(=O)NN=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c32-24(28-20-12-15-30(16-13-20)18-19-7-2-1-3-8-19)11-6-14-31-23-10-5-4-9-21(23)22-17-27-29-26(33)25(22)31/h1-5,7-10,17,20H,6,11-16,18H2,(H,28,32)(H,29,33)