3-[2-cyanoethyl-[4-[[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[[8-(2-pyrrol-1-ylphenyl)carbonyl-3,8-diazaspiro[4.5]decan-3-yl]methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[[8-[oxo-[2-(1-pyrrolyl)phenyl]methyl]-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[[8-(2-pyrrol-1-ylbenzoyl)-3,8-diazaspiro[4.5]decan-3-yl]methyl]anilino]propionitrile Formula: C32H36N6O MolecularWeight: 520.66784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12CCN(C2)CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)C4=CC=CC=C4N5C=CC=C5

Isomeric SMILES

C1CN(CCC12CCN(C2)CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)C4=CC=CC=C4N5C=CC=C5

InChI

InChI=1S/C32H36N6O/c33-16-5-20-36(21-6-17-34)28-11-9-27(10-12-28)25-35-22-13-32(26-35)14-23-38(24-15-32)31(39)29-7-1-2-8-30(29)37-18-3-4-19-37/h1-4,7-12,18-19H,5-6,13-15,20-26H2