4-[[3-chloranyl-4-(pyridin-3-ylmethyl)phenyl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide

Systemtic Name: 4-[[3-chloranyl-4-(pyridin-3-ylmethyl)phenyl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Openeye Name: 4-[3-chloro-4-(3-pyridylmethyl)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide CAS Name: 4-[3-chloro-4-(3-pyridinylmethyl)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide IUPAC Name: 4-[3-chloro-4-(pyridin-3-ylmethyl)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Traditional Name: 4-[3-chloro-4-(3-pyridylmethyl)anilino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)NC(=NC2NC3=CC(=C(C=C3)CC4=CN=CC=C4)Cl)C(=O)N

Isomeric SMILES

C1=CC2C(C=C1)NC(=NC2NC3=CC(=C(C=C3)CC4=CN=CC=C4)Cl)C(=O)N

InChI

InChI=1S/C21H20ClN5O/c22-17-11-15(8-7-14(17)10-13-4-3-9-24-12-13)25-20-16-5-1-2-6-18(16)26-21(27-20)19(23)28/h1-9,11-12,16,18,20,25H,10H2,(H2,23,28)(H,26,27)