2-[(3S)-3-azanylpyrrolidin-1-yl]-6-chloranyl-N-(cyclohexylmethyl)quinoline-5-carboxamide

Systemtic Name: 2-[(3S)-3-azanylpyrrolidin-1-yl]-6-chloranyl-N-(cyclohexylmethyl)quinoline-5-carboxamide Openeye Name: 2-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide CAS Name: 2-[(3S)-3-amino-1-pyrrolidinyl]-6-chloro-N-(cyclohexylmethyl)-5-quinolinecarboxamide IUPAC Name: 2-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide Traditional Name: 2-[(3S)-3-aminopyrrolidino]-6-chloro-N-(cyclohexylmethyl)quinoline-5-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CCC(C4)N)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC3=C2C=CC(=N3)N4CC[C@@H](C4)N)Cl

InChI

InChI=1S/C21H27ClN4O/c22-17-7-8-18-16(6-9-19(25-18)26-11-10-15(23)13-26)20(17)21(27)24-12-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-13,23H2,(H,24,27)/t15-/m0/s1