3-[1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]carbonylpyridin-2-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one

Systemtic Name: 3-[1-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]carbonylpyridin-2-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one Openeye Name: 3-[1-[4-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-pyridyl]-4-piperidyl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one CAS Name: 3-[1-[4-[[(3S,5R)-3,5-dimethyl-1-piperazinyl]-oxomethyl]-2-pyridinyl]-4-piperidinyl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one IUPAC Name: 3-[1-[4-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]pyridin-2-yl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one Traditional Name: 3-[1-[4-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-pyridyl]-4-piperidyl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one Formula: C26H34N6O2 MolecularWeight: 462.58716

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C(=O)C2=CC(=NC=C2)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C(=O)C2=CC(=NC=C2)N3CCC(CC3)N4CCC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H34N6O2/c1-18-16-31(17-19(2)28-18)25(33)21-7-11-27-24(15-21)30-12-9-22(10-13-30)32-14-8-20-5-3-4-6-23(20)29-26(32)34/h3-7,11,15,18-19,22,28H,8-10,12-14,16-17H2,1-2H3,(H,29,34)/t18-,19+