3-azanyl-1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-(1-azocanyl)-2-oxoethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[2-(azocan-1-yl)-2-oxoethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-(azocan-1-yl)-2-keto-ethyl]-5-cyclohexyl-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)N)CC(=O)N4CCCCCCC4

InChI

InChI=1S/C25H36N4O2/c1-18-11-10-14-20-22(19-12-6-5-7-13-19)27-24(26)25(31)29(23(18)20)17-21(30)28-15-8-3-2-4-9-16-28/h10-11,14,19,24H,2-9,12-13,15-17,26H2,1H3