4-(7-chloranylquinolin-4-yl)-N-[1-(cyclopropylmethyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(7-chloranylquinolin-4-yl)-N-[1-(cyclopropylmethyl)-2-oxidanylidene-azepan-3-yl]piperazine-1-carboxamide Openeye Name: 4-(7-chloro-4-quinolyl)-N-[1-(cyclopropylmethyl)-2-oxo-azepan-3-yl]piperazine-1-carboxamide CAS Name: 4-(7-chloro-4-quinolinyl)-N-[1-(cyclopropylmethyl)-2-oxo-3-azepanyl]-1-piperazinecarboxamide IUPAC Name: 4-(7-chloroquinolin-4-yl)-N-[1-(cyclopropylmethyl)-2-oxoazepan-3-yl]piperazine-1-carboxamide Traditional Name: 4-(7-chloro-4-quinolyl)-N-[1-(cyclopropylmethyl)-2-keto-azepan-3-yl]piperazine-1-carboxamide Formula: C24H30ClN5O2 MolecularWeight: 455.9803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5CC5

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)CC5CC5

InChI

InChI=1S/C24H30ClN5O2/c25-18-6-7-19-21(15-18)26-9-8-22(19)28-11-13-29(14-12-28)24(32)27-20-3-1-2-10-30(23(20)31)16-17-4-5-17/h6-9,15,17,20H,1-5,10-14,16H2,(H,27,32)