N-[4-[3-(dimethylamino)pyrrolidin-1-yl]carbonylphenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-[3-(dimethylamino)pyrrolidin-1-yl]carbonylphenyl]isoquinoline-1-carboxamide Openeye Name: N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]isoquinoline-1-carboxamide CAS Name: N-[4-[[3-(dimethylamino)-1-pyrrolidinyl]-oxomethyl]phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]isoquinoline-1-carboxamide Traditional Name: N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]isoquinoline-1-carboxamide Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CN(C)C1CCN(C1)C(=O)C2=CC=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N4O2/c1-26(2)19-12-14-27(15-19)23(29)17-7-9-18(10-8-17)25-22(28)21-20-6-4-3-5-16(20)11-13-24-21/h3-11,13,19H,12,14-15H2,1-2H3,(H,25,28)