N-[3-(1H-benzimidazol-2-yl)propyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]propanamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1,4-diketo-3H-phthalazin-2-yl)propionamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NCCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)NCCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O3/c27-19(22-12-5-10-18-23-16-8-3-4-9-17(16)24-18)11-13-26-21(29)15-7-2-1-6-14(15)20(28)25-26/h1-4,6-9H,5,10-13H2,(H,22,27)(H,23,24)(H,25,28)