2-cyano-N-[(Z)-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-5-pyrrolidin-1-yl-pentan-3-ylidene]amino]ethanamide hydrochloride

Systemtic Name: 2-cyano-N-[(Z)-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-5-pyrrolidin-1-yl-pentan-3-ylidene]amino]ethanamide hydrochloride Openeye Name: 2-cyano-N-[(Z)-[3-(2-hydroxy-4-oxo-chromen-3-yl)-3-phenyl-1-(2-pyrrolidin-1-ylethyl)propylidene]amino]acetamide hydrochloride CAS Name: 2-cyano-N-[(Z)-[1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-1-phenyl-5-(1-pyrrolidinyl)pentan-3-ylidene]amino]acetamide hydrochloride IUPAC Name: 2-cyano-N-[(Z)-[1-(2-hydroxy-4-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]acetamide hydrochloride Traditional Name: 2-cyano-N-[(Z)-[3-(2-hydroxy-4-keto-chromen-3-yl)-3-phenyl-1-(2-pyrrolidinoethyl)propylidene]amino]acetamide hydrochloride Formula: C27H29ClN4O4 MolecularWeight: 508.99656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(=NNC(=O)CC#N)CC(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

C1CCN(C1)CC/C(=N\NC(=O)CC#N)/CC(C2=CC=CC=C2)C3=C(OC4=CC=CC=C4C3=O)O.Cl

InChI

InChI=1S/C27H28N4O4.ClH/c28-14-12-24(32)30-29-20(13-17-31-15-6-7-16-31)18-22(19-8-2-1-3-9-19)25-26(33)21-10-4-5-11-23(21)35-27(25)34;/h1-5,8-11,22,34H,6-7,12-13,15-18H2,(H,30,32);1H/b29-20+;