N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-2-methyl-N-propan-2-yl-benzamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-2-methyl-N-propan-2-yl-benzamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-isopropyl-2-methyl-benzamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-isopropyl-2-methyl-benzamide Formula: C31H38BrN3O2 MolecularWeight: 564.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC(=O)N(CC2=CC=CN2CC3=CC=C(C=C3)Br)C4CCCCC4)C(C)C

InChI

InChI=1S/C31H38BrN3O2/c1-23(2)34(31(37)29-14-8-7-10-24(29)3)22-30(36)35(27-11-5-4-6-12-27)21-28-13-9-19-33(28)20-25-15-17-26(32)18-16-25/h7-10,13-19,23,27H,4-6,11-12,20-22H2,1-3H3