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

Systemtic Name: 3-azanyl-1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-9-methyl-5-propan-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-[2-(azocan-1-yl)-2-oxo-ethyl]-5-isopropyl-9-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-[2-(1-azocanyl)-2-oxoethyl]-9-methyl-5-propan-2-yl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-[2-(azocan-1-yl)-2-oxoethyl]-9-methyl-5-propan-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-[2-(azocan-1-yl)-2-keto-ethyl]-5-isopropyl-9-methyl-3H-1,4-benzodiazepin-2-one Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C(C)C)N)CC(=O)N3CCCCCCC3

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C(C)C)N)CC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H32N4O2/c1-15(2)19-17-11-9-10-16(3)20(17)26(22(28)21(23)24-19)14-18(27)25-12-7-5-4-6-8-13-25/h9-11,15,21H,4-8,12-14,23H2,1-3H3