4-chloranyl-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]quinoline-3-carboxamide

Systemtic Name: 4-chloranyl-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]quinoline-3-carboxamide Openeye Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-4-chloro-quinoline-3-carboxamide CAS Name: 4-chloro-N-[1-methyl-4-(phenylmethyl)-1,4-diazepan-6-yl]-3-quinolinecarboxamide IUPAC Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-4-chloroquinoline-3-carboxamide Traditional Name: N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-4-chloro-quinoline-3-carboxamide Formula: C23H25ClN4O MolecularWeight: 408.9238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC(C1)NC(=O)C2=C(C3=CC=CC=C3N=C2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC(C1)NC(=O)C2=C(C3=CC=CC=C3N=C2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-27-11-12-28(14-17-7-3-2-4-8-17)16-18(15-27)26-23(29)20-13-25-21-10-6-5-9-19(21)22(20)24/h2-10,13,18H,11-12,14-16H2,1H3,(H,26,29)