N-(2-azanylethyl)-N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)isoquinoline-3-carboxamide

Systemtic Name: N-(2-azanylethyl)-N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)isoquinoline-3-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2-chlorophenyl)-N-[(1S)-1-methylpropyl]isoquinoline-3-carboxamide CAS Name: N-(2-aminoethyl)-N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-isoquinolinecarboxamide IUPAC Name: N-(2-aminoethyl)-N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)isoquinoline-3-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2-chlorophenyl)-N-[(1S)-1-methylpropyl]isoquinoline-3-carboxamide Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCN)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CC[C@H](C)N(CCN)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O/c1-3-15(2)26(13-12-24)22(27)20-14-16-8-4-5-9-17(16)21(25-20)18-10-6-7-11-19(18)23/h4-11,14-15H,3,12-13,24H2,1-2H3/t15-/m0/s1