2-[(3S)-3-azanylpyrrolidin-1-yl]-N-(cyclohexylmethyl)-6-methyl-quinoline-5-carboxamide; ethanoic acid

Systemtic Name: 2-[(3S)-3-azanylpyrrolidin-1-yl]-N-(cyclohexylmethyl)-6-methyl-quinoline-5-carboxamide; ethanoic acid Openeye Name: acetic acid; 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexylmethyl)-6-methyl-quinoline-5-carboxamide CAS Name: acetic acid; 2-[(3S)-3-amino-1-pyrrolidinyl]-N-(cyclohexylmethyl)-6-methyl-5-quinolinecarboxamide IUPAC Name: acetic acid; 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(cyclohexylmethyl)-6-methylquinoline-5-carboxamide Traditional Name: acetic acid; 2-[(3S)-3-aminopyrrolidino]-N-(cyclohexylmethyl)-6-methyl-quinoline-5-carboxamide Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(C=C2)N3CCC(C3)N)C(=O)NCC4CCCCC4.CC(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(C=C2)N3CC[C@@H](C3)N)C(=O)NCC4CCCCC4.CC(=O)O

InChI

InChI=1S/C22H30N4O.C2H4O2/c1-15-7-9-19-18(8-10-20(25-19)26-12-11-17(23)14-26)21(15)22(27)24-13-16-5-3-2-4-6-16;1-2(3)4/h7-10,16-17H,2-6,11-14,23H2,1H3,(H,24,27);1H3,(H,3,4)/t17-;/m0./s1