1-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-iodanylphenyl)urea

Systemtic Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-iodanylphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-iodophenyl)urea CAS Name: 1-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-iodophenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-iodophenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(3-iodophenyl)urea Formula: C23H26IN5O2 MolecularWeight: 531.38931

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)I)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)I)N4CCCCCC4

InChI

InChI=1S/C23H26IN5O2/c1-28-19-12-5-4-11-18(19)21(29-13-6-2-3-7-14-29)26-20(22(28)30)27-23(31)25-17-10-8-9-16(24)15-17/h4-5,8-12,15,20H,2-3,6-7,13-14H2,1H3,(H2,25,27,31)