7-bromanyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-prop-2-enyl-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 7-bromanyl-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-prop-2-enyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 1-allyl-7-bromo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-bromo-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-1-prop-2-enyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-bromo-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1-prop-2-enyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-allyl-7-bromo-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H32BrN3O2 MolecularWeight: 510.46588

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)N(CC2)CC=C)C4CCOCC4

Isomeric SMILES

CN(CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Br)N(CC2)CC=C)C4CCOCC4

InChI

InChI=1S/C27H32BrN3O2/c1-3-13-31-14-10-21(17-22-18-23(28)6-9-26(22)31)27(32)29-24-7-4-20(5-8-24)19-30(2)25-11-15-33-16-12-25/h3-9,17-18,25H,1,10-16,19H2,2H3,(H,29,32)