N-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide

Systemtic Name: N-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide Openeye Name: 3-[4-(2-isopropoxyphenyl)piperazin-1-yl]-N-(3-methyl-2,5-dioxo-pyrrol-1-yl)propanamide CAS Name: N-(3-methyl-2,5-dioxo-1-pyrrolyl)-3-[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-methyl-2,5-dioxopyrrol-1-yl)-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide Traditional Name: N-citraconimido-3-[4-(2-isopropoxyphenyl)piperazino]propionamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3OC(C)C

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC(=O)CCN2CCN(CC2)C3=CC=CC=C3OC(C)C

InChI

InChI=1S/C21H28N4O4/c1-15(2)29-18-7-5-4-6-17(18)24-12-10-23(11-13-24)9-8-19(26)22-25-20(27)14-16(3)21(25)28/h4-7,14-15H,8-13H2,1-3H3,(H,22,26)