N-[1-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-pyridin-3-yl-ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[1-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]-2-pyridin-3-yl-ethyl]-3-methyl-4-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[1-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]-2-(3-pyridyl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[1-[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]-2-(3-pyridinyl)ethyl]-3-methyl-4-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[1-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]-2-pyridin-3-ylethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[1-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]-2-(3-pyridyl)ethyl]-3-methyl-4-(pyrrolidine-1-carbonyl)benzamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC2=CN=CC=C2)C3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CC2=CN=CC=C2)C3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

InChI

InChI=1S/C27H29N5O3/c1-17-13-20(6-8-21(17)27(35)32-11-2-3-12-32)26(34)31-23(14-18-5-4-10-30-16-18)22-15-19(25(28)29)7-9-24(22)33/h4-10,13,15-16,23H,2-3,11-12,14,28-29H2,1H3,(H,31,34)