4-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-6-oxidanylidene-pyridazin-1-yl]butyl benzoate

Systemtic Name: 4-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-6-oxidanylidene-pyridazin-1-yl]butyl benzoate Openeye Name: 4-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-6-oxo-pyridazin-1-yl]butyl benzoate CAS Name: benzoic acid 4-[4-[(3R)-3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1-pyridazinyl]butyl ester IUPAC Name: 4-[4-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]butyl benzoate Traditional Name: benzoic acid 4-[4-[(3R)-3-(aminomethyl)pyrrolidino]-6-keto-pyridazin-1-yl]butyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CN)C2=CC(=O)N(N=C2)CCCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]1CN)C2=CC(=O)N(N=C2)CCCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c21-13-16-8-10-23(15-16)18-12-19(25)24(22-14-18)9-4-5-11-27-20(26)17-6-2-1-3-7-17/h1-3,6-7,12,14,16H,4-5,8-11,13,15,21H2/t16-/m1/s1