N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-[2-(1-pyrrolidinyl)ethyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-(2-pyrrolidin-1-ylethyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-(2-pyrrolidinoethyl)quinoline-3-carboxamide Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CCN2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O3/c27-21-8-5-20(6-9-21)17-28-26(33)23-18-30(14-13-29-11-1-2-12-29)24-10-7-19(4-3-15-31)16-22(24)25(23)32/h5-10,16,18,31H,1-2,11-15,17H2,(H,28,33)