1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(5,5-dimethylazepan-2-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(5,5-dimethylazepan-2-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[5-(5,5-dimethylazepan-2-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-indan-5-yl-urea CAS Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(5,5-dimethyl-2-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[5-(5,5-dimethylazepan-2-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[5-(5,5-dimethylazepan-2-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-indan-5-yl-urea Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(NCC1)C2=NC(C(=O)N(C3=CC=CC=C32)C)NC(=O)NC4=CC5=C(CCC5)C=C4)C

Isomeric SMILES

CC1(CCC(NCC1)C2=NC(C(=O)N(C3=CC=CC=C32)C)NC(=O)NC4=CC5=C(CCC5)C=C4)C

InChI

InChI=1S/C28H35N5O2/c1-28(2)14-13-22(29-16-15-28)24-21-9-4-5-10-23(21)33(3)26(34)25(31-24)32-27(35)30-20-12-11-18-7-6-8-19(18)17-20/h4-5,9-12,17,22,25,29H,6-8,13-16H2,1-3H3,(H2,30,32,35)