2-[(E)-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-5-pyrrolidin-1-yl-pentan-3-ylidene]amino]guanidine hydrochloride

Systemtic Name: 2-[(E)-[1-(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-1-phenyl-5-pyrrolidin-1-yl-pentan-3-ylidene]amino]guanidine hydrochloride Openeye Name: 2-[(E)-[3-(2-hydroxy-4-oxo-chromen-3-yl)-3-phenyl-1-(2-pyrrolidin-1-ylethyl)propylidene]amino]guanidine hydrochloride CAS Name: 2-[(E)-[1-(2-hydroxy-4-oxo-1-benzopyran-3-yl)-1-phenyl-5-(1-pyrrolidinyl)pentan-3-ylidene]amino]guanidine hydrochloride IUPAC Name: 2-[(E)-[1-(2-hydroxy-4-oxochromen-3-yl)-1-phenyl-5-pyrrolidin-1-ylpentan-3-ylidene]amino]guanidine hydrochloride Traditional Name: 2-[(E)-[3-(2-hydroxy-4-keto-chromen-3-yl)-3-phenyl-1-(2-pyrrolidinoethyl)propylidene]amino]guanidine hydrochloride Formula: C25H30ClN5O3 MolecularWeight: 483.9904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O3.ClH/c26-25(27)29-28-18(12-15-30-13-6-7-14-30)16-20(17-8-2-1-3-9-17)22-23(31)19-10-4-5-11-21(19)33-24(22)32;/h1-5,8-11,20,32H,6-7,12-16H2,(H4,26,27,29);1H/b28-18-;