N-[6-[4-(4-bromophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(4-bromophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide CAS Name: N-[6-[4-[(4-bromophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]cyclohexanecarboxamide Formula: C24H29BrN4O2 MolecularWeight: 485.41666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H29BrN4O2/c25-20-9-7-19(8-10-20)24(31)29-14-4-13-28(15-16-29)22-12-11-21(17-26-22)27-23(30)18-5-2-1-3-6-18/h7-12,17-18H,1-6,13-16H2,(H,27,30)