methanoic acid; 4-[3-oxidanylidene-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: methanoic acid; 4-[3-oxidanylidene-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: formic acid; 4-[4-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]-3-oxo-piperazine-1-carbonyl]benzonitrile CAS Name: formic acid; 4-[oxo-[3-oxo-4-[4-[(1-propan-2-yl-4-piperidinyl)oxy]phenyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: formic acid; 4-[3-oxo-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazine-1-carbonyl]benzonitrile Traditional Name: formic acid; 4-[4-[4-[(1-isopropyl-4-piperidyl)oxy]phenyl]-3-keto-piperazine-1-carbonyl]benzonitrile Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N.C(=O)O

Isomeric SMILES

CC(C)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)C#N.C(=O)O

InChI

InChI=1S/C26H30N4O3.CH2O2/c1-19(2)28-13-11-24(12-14-28)33-23-9-7-22(8-10-23)30-16-15-29(18-25(30)31)26(32)21-5-3-20(17-27)4-6-21;2-1-3/h3-10,19,24H,11-16,18H2,1-2H3;1H,(H,2,3)