[1-(4-bromophenyl)carbonylpiperidin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(4-bromophenyl)carbonylpiperidin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-(4-bromobenzoyl)-4-piperidyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(4-bromobenzoyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-(4-bromobenzoyl)-4-piperidyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H28BrN3O2S MolecularWeight: 490.45632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C23H28BrN3O2S/c24-20-6-4-18(5-7-20)22(28)27-12-8-19(9-13-27)23(29)26-11-2-10-25(14-15-26)17-21-3-1-16-30-21/h1,3-7,16,19H,2,8-15,17H2